Quantum-chemical study of coelenterazine withthe account of environment and electronic correlations


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Electronic structure and total energy of various isomeric forms of coelenterazine has been calculated by methods
of quantum chemistry both in one-electronic approach, and with correlation effects. It is shown that the account
of electronic correlations allows choosing structure of coelenterazine CLZ (1H) as most probable of possible isomeric
forms.

Sobre autores

Lyubov' Antipina

Email: antipinalyu@gmail.com

Sergey Ovchinnikov

Email: sgo@iph.krasn.ru

L Antipina

S Ovchinnikov

Bibliografia

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Declaração de direitos autorais © Antipina L.Y., Ovchinnikov S.G., Antipina L.Y., Ovchinnikov S.G., 2011

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Este artigo é disponível sob a Licença Creative Commons Atribuição 4.0 Internacional.